%chk=000097504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097504

0 1
 O   -6.656200     -0.9912000     -0.5238000    
 O    3.854500      -3.701600      0.5140000    
 O    5.448900      -3.429700      -1.123900    
 O   -4.886600      -2.091100      0.4190000    
 N    3.229200       2.524500     -9.7800002E-02
 N   -1.215000       3.414100     -0.3378000    
 N   0.4898000       1.536100      0.9186000    
 N   -2.600600     -0.4390000      0.5671000    
 N  -0.4784000     -0.9936000       1.460500    
 N   -4.721400      0.1328000     -0.3037000    
 C   0.9607000       2.686700      0.5480000    
 C    2.374900       3.040500      0.9289000    
 C   0.2035000       3.684900     -0.3006000    
 C   -1.675500       2.141200     -5.1899999E-02
 C  -0.8265000       1.213200      0.5586000    
 C    3.569900       1.159700     -0.1644000    
 C   -2.992400       1.770600     -0.3285000    
 C    3.752800       3.444200      -1.117300    
 C   -1.335900     -4.9199998E-02  0.8406000    
 C   -3.398800      0.4845000     -8.6000003E-03
 C    4.023700      0.6093000      -1.364300    
 C    3.453100      0.3535000      0.9692000    
 C    4.359700     -0.7430000      -1.430500    
 C    3.789200     -0.9986000      0.9032000    
 C    4.242400      -1.546900     -0.2967000    
 C    4.591600      -2.957100     -0.3659000    
 C   -5.362500      -1.080300     -8.3400004E-02
 C   -7.456400      -2.168800     -0.3672000    
 C    4.108600      -5.110200      0.5408000    
 C   -8.845900      -1.895500     -0.9022000    
 H    2.606800       2.681200       1.935300    
 H    2.448700       4.132300      0.9994000    
 H   0.6114000       3.645000      -1.316300    
 H   0.3675000       4.693000      9.2200004E-02
 H   -1.830000       4.069100     -0.8058000    
 H   -3.675400       2.478800     -0.7900000    
 H    3.599500       4.489000     -0.8255000    
 H    4.831500       3.309900      -1.254800    
 H    3.236900       3.297500      -2.072100    
 H    4.117700       1.194000      -2.274400    
 H    3.126100      0.7270000       1.933000    
 H    4.705600      -1.156000      -2.374500    
 H    3.702200      -1.597300       1.806200    
 H  -0.8639000      -1.910200       1.650900    
 H   0.5180000     -0.9135000       1.299100    
 H   -5.290500      0.8567000     -0.7361000    
 H   -7.513800      -2.432200      0.6947000    
 H   -7.001500      -2.995600     -0.9241000    
 H   -9.485500      -2.776400     -0.7979000    
 H   -9.307000      -1.058500     -0.3674000    
 H   -8.803100      -1.612400      -1.959100    
 H    3.891200      -5.551100     -0.4365000    
 H    3.448000      -5.561300       1.285900    
 H    5.146700      -5.300400      0.8285000    


%chk=000097504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097504

0 1
O -7.245292 -0.788730 -0.515344
O 4.938489 -3.733972 -0.163316
O 6.597838 -2.879172 -1.562609
O -6.088063 -1.266847 1.482952
N 3.280114 2.487666 0.154154
N -0.909839 2.227339 -1.270277
N -0.013136 1.485153 1.297663
N -3.408681 -0.052595 1.288191
N -1.718746 -0.073267 2.905534
N -5.148673 -0.009005 -0.331442
C 0.808962 2.121704 0.496895
C 2.121597 2.654611 1.055901
C 0.537081 2.334671 -0.996854
C -1.752763 1.462637 -0.473987
C -1.269048 1.066920 0.811716
C 3.829913 1.220189 -0.074257
C -3.067418 1.105153 -0.857059
C 3.905543 3.675831 -0.445377
C -2.141345 0.312547 1.657221
C -3.839211 0.346702 0.067692
C 4.977021 1.059835 -0.918555
C 3.270047 0.044155 0.527105
C 5.529100 -0.208871 -1.144767
C 3.834441 -1.218198 0.292374
C 4.971107 -1.369421 -0.546678
C 5.595728 -2.680542 -0.825563
C -6.119831 -0.739913 0.354760
C -8.416385 -1.532608 0.020239
C 5.508627 -5.076803 -0.400151
C -9.513570 -1.445828 -1.036744
H 2.294296 2.168636 2.035709
H 2.013190 3.738781 1.253405
H 1.126925 1.586782 -1.577473
H 0.901202 3.333995 -1.306843
H -1.249248 2.539980 -2.179352
H -3.472462 1.393712 -1.833322
H 3.344110 4.574564 -0.144432
H 4.955353 3.801610 -0.111753
H 3.904951 3.629229 -1.553233
H 5.439322 1.928195 -1.395231
H 2.388789 0.115884 1.169614
H 6.406542 -0.326233 -1.789903
H 3.396590 -2.106301 0.756993
H -2.362123 -0.589138 3.500499
H -0.795445 0.214732 3.222802
H -5.448167 0.306958 -1.255888
H -8.718617 -1.072928 0.979028
H -8.110016 -2.575333 0.222899
H -10.412977 -1.984884 -0.687164
H -9.791672 -0.395581 -1.230721
H -9.183476 -1.900903 -1.986442
H 5.473446 -5.326965 -1.474325
H 4.876009 -5.759026 0.185706
H 6.557372 -5.116506 -0.059287


